Structure of PDB 1c7g Chain B Binding Site BS01

Receptor Information
>1c7g Chain B (length=456) Species: 48984 (Pantoea agglomerans pv. gypsophilae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNYPAEPFRIKSVETVSMISRDERVKKMQEAGYNTFLLNSKDIYIDLLTD
SGTNAMSDKQWAGMMIGDEAYAGSENFYHLEKTVKELFGFKHIVPTHQGR
GAENLLSQLAIKPGQYVAGNMYFTTTRFHQEKNGATFVDIVRDEAHDASL
NLPFKGDIDLNKLATLIKEKGAENIAYICLAVTVNLAGGQPVSMANMRAV
HEMASTYGIKIFYDATRCVENAYFIKEQEAGYENVSIKDIVHEMFSYADG
CTMSGKKDCLVNIGGFLCMNDEEMFSAAKELVVVYEGMPSYGGLAGRDME
AMAIGLREAMQYEYIEHRVKQVRYLGDKLREAGVPIVEPTGGHAVFLDAR
RFCPHLTQDQFPAQSLAASIYMETGVRSMERGIVSAGRSKETGENHRPKL
ETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLTFVYEPKQLRFFT
ARFDFI
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain1c7g Chain B Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1c7g The Structure of Tyrosine Phenol-Lyase from Erwinia Herbicola
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q98 G99 R100 F123 D214 T216 R217 S254 K257
Binding residue
(residue number reindexed from 1)		Q98 G99 R100 F123 D214 T216 R217 S254 K257
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y71 F123 T124 D214 T216 K257 R381 F448
Catalytic site (residue number reindexed from 1) Y71 F123 T124 D214 T216 K257 R381 F448
Enzyme Commision number 4.1.99.2: tyrosine phenol-lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016830 carbon-carbon lyase activity
GO:0050371 tyrosine phenol-lyase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006570 tyrosine metabolic process
GO:0009072 aromatic amino acid metabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1c7g, PDBe:1c7g, PDBj:1c7g
PDBsum1c7g
PubMed
UniProtP31011|TPL_ENTAG Tyrosine phenol-lyase (Gene Name=tpl)

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